Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRKRMVIGLSTGSDDDDVEVIGGVDPRLIAVQENDSDESSLT-DLVEQPAKVMRIGTMIKQLLEEVRAAPLDEASRNRLRDIHATSIRELEDGLAPELREELDRLTLPFNE-DAVPSDAELRIAQAQLVGWLEGLFHGIQTAL---------FAQQMAARAQLQQMRQGALPPGVGKSGQHGHGTGQYL
2HRA Chain:A ((19-198))
----MPSTLTINGKAPIVAYAELIAARIVNALAPNSIAIKLVDDKKAPAAKLDDATEDVFNKITSKFAAIFDNGDKEQVAKWVNLAQKELVIKNFAKLSQSLETLDSQLNLRTFILGGLKYSAADVACWGALRSNGMCGSIIKNKVDVNVSRWYTLLEMDPIFGEAHDFLSKSLLELKKSANVG-----
General information:
TITO was launched using:
RESULT:
Template:
2HRA.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -14143 for 1299 contacts (-10.9/contact) +
2D Compatibility (PS) -17559 + (NN) -4976 + (LL) 740
1D Compatibility (HY) -2400 + (ID) 1100
Total energy: -39438.0 ( -30.36 by residue)
QMean score : 0.275
(partial model without unconserved sides chains):
PDB file :
Tito_2HRA.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2HRA-query.scw
PDB file :
Tito_Scwrl_2HRA.pdb
: